(2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C13H20N6 — CID 125443752

IUPAC(2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESC[C@@H](Cn1cncn1)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C13H20N6/c1-12(7-19-11-14-10-17-19)15-8-13(3-4-13)9-18-6-2-5-16-18/h2,5-6,10-12,15H,3-4,7-9H2,1H3/t12-/m0/s1
InChIKeyNZANFPAZBMJNCI-LBPRGKRZSA-N
MW260.34 g/mol
LogP0.93
Rot. Bonds7

About (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

(2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 125443752) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID125443752
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name(2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESC[C@@H](Cn1cncn1)NCC1(Cn2cccn2)CC1
InChIInChI=1S/C13H20N6/c1-12(7-19-11-14-10-17-19)15-8-13(3-4-13)9-18-6-2-5-16-18/h2,5-6,10-12,15H,3-4,7-9H2,1H3/t12-/m0/s1
InChIKeyNZANFPAZBMJNCI-LBPRGKRZSA-N
XLogP0.93
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine with MolForge

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Related Compounds

(2S)-4-methoxy-4-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pentan-2-amine
CID 125445052
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 50974533
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 95273102
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122559752
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 125443752) is (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is C[C@@H](Cn1cncn1)NCC1(Cn2cccn2)CC1.
What is the InChIKey of (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is NZANFPAZBMJNCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N6/c1-12(7-19-11-14-10-17-19)15-8-13(3-4-13)9-18-6-2-5-16-18/h2,5-6,10-12,15H,3-4,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
(2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 125443752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).